materialsCnicCas / CASMatChat
☆20Updated last year
Alternatives and similar repositories for CASMatChat:
Users that are interested in CASMatChat are comparing it to the libraries listed below
- A repository for the LLM-Prop implementation☆34Updated 10 months ago
- Predict and Inverse design for metal-organic framework with large-language models (llms)☆74Updated this week
- Web-Scarping tool for downloading the content of the following publishers: Elsevier, RSC, Web of Science, Springer Nature , Wiley.☆22Updated 5 months ago
- Chemist AI Agent for Developing Materials Datasets with Natural Language Prompts☆47Updated 3 months ago
- ☆15Updated 7 months ago
- ChatGPT Chemistry Assistant☆80Updated last year
- Open-sourced dialogue foundation model for Chemistry and molecule science☆66Updated last week
- SciAssess is a comprehensive benchmark for evaluating Large Language Models' proficiency in scientific literature analysis across various…☆70Updated 4 months ago
- DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules☆14Updated 2 months ago
- ☆25Updated 3 months ago
- Text-based modeling of materials.☆30Updated 3 months ago
- This repository includes software for the paper "Multi-task learning for molecular electronic structure approaching coupled-cluster accur…☆17Updated 5 months ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆95Updated this week
- Large Language Model for Catalyst Property Prediction☆23Updated 11 months ago
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆48Updated last year
- ☆12Updated last year
- AI for crystal materials☆31Updated this week
- ☆14Updated last year
- ☆22Updated 2 years ago
- Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows) employing Argo Workflows…☆66Updated last month
- An elementary MD simulation program written in python☆24Updated 3 years ago
- ASE interface for fully constant potential with VASP☆31Updated 4 months ago
- Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures☆22Updated 2 months ago
- ☆12Updated last year
- The functions of superalloyDigger toolkit include batch downloading documents in XML and TXT format from the Elsevier database, locating …☆54Updated 8 months ago
- A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scient…☆74Updated 4 months ago
- The official code respository for "Crystalformer: Infinitely Connected Attention for Periodic Structure Encoding" (ICLR 2024)☆14Updated this week
- Heat capacity predictor for porous materials☆13Updated 8 months ago